SCHEMBL7306695

SCHEMBL7306695

CC(O)c1cc(OCCCC(=O)N(C)Cc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
MAPK1 P28482 3/20 0.43
LMNA P02545 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7313188 0.91 LMNA (0.52) PDE3BPDE3ANPC1RAB9AMAPK1
SCHEMBL7310331 0.89 PKM (0.43) PDE3BPDE3ANPC1RAB9AMAPK1
SCHEMBL7317466 0.86 PDE3B (0.46) PDE3BPDE3ANPC1RAB9AMAPK1
SCHEMBL7344986 0.85 LMNA (0.48) PDE3BPDE3ANPC1MAPK1LMNA
SCHEMBL7315992 0.84 PDE3B (0.49) PDE3BPDE3ANPC1RAB9AMAPK1
SCHEMBL7311180 0.84 PDE3B (0.47) PDE3BPDE3ANPC1RAB9AMAPK1
SCHEMBL7304356 0.83 PDE3B (0.46) PDE3BPDE3ANPC1RAB9AMAPK1
SCHEMBL7307893 0.82 LMNA (0.43) PDE3BPDE3ANPC1MAPK1LMNA
SCHEMBL21029934 0.82 SIRT5 (0.46) NPC1RAB9AMAPK1LMNAL3MBTL1
SCHEMBL10377086 0.81 PDE3B (0.46) PDE3BPDE3ANPC1RAB9AMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed